null

SMILES: CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1

InChI Key: InChIKey=HIXATJZIAGPDBU-OBJOEFQTSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44311   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44311 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44311 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44311 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2FN14KV
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44311 ((2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C17H27N5O3/c1-10(2)14(20-15(23)11(3)18)17(25)19-12(4)16(24)22-21-13-8-6-5-7-9-13/h5-12,14,21H,18H2,1-4H3,(H,19,25)(H,20,23)(H,22,24)/t11-,12-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q29W0CWK
					More data for this Ligand-Target Pair